2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide

C21H25ClFN3O — CID 119930491

IUPAC2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)CC1CCNCC1)Nc1ccccc1F
InChIInChI=1S/C21H25ClFN3O/c22-18-7-5-16(6-8-18)13-26(14-17-9-11-24-12-10-17)15-21(27)25-20-4-2-1-3-19(20)23/h1-8,17,24H,9-15H2,(H,25,27)
InChIKeyFJDDEFUEAHHOQH-UHFFFAOYSA-N
MW389.90 g/mol
LogP3.92
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide

2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide (PubChem CID 119930491) has the molecular formula C21H25ClFN3O and a molecular weight of 389.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide
PubChem CID119930491
Molecular FormulaC21H25ClFN3O
Molecular Weight389.90 g/mol
Exact Mass389.17
IUPAC Name2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)CC1CCNCC1)Nc1ccccc1F
InChIInChI=1S/C21H25ClFN3O/c22-18-7-5-16(6-8-18)13-26(14-17-9-11-24-12-10-17)15-21(27)25-20-4-2-1-3-19(20)23/h1-8,17,24H,9-15H2,(H,25,27)
InChIKeyFJDDEFUEAHHOQH-UHFFFAOYSA-N
XLogP3.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702201
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-fluorophenyl)acetamide
CID 78899950
N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703986
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
CID 119929563
3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 79701630
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
CID 119929562
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656888
N-(2,6-dichlorophenyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929877
N-[(4-chlorophenyl)methyl]-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703063
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 5044769
N-(2-fluorophenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 86842664
N-(2-methoxyphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702343

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide (CID 119930491) is 2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide is O=C(CN(Cc1ccc(Cl)cc1)CC1CCNCC1)Nc1ccccc1F.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide?
The InChIKey is FJDDEFUEAHHOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O/c22-18-7-5-16(6-8-18)13-26(14-17-9-11-24-12-10-17)15-21(27)25-20-4-2-1-3-19(20)23/h1-8,17,24H,9-15H2,(H,25,27).
What are the key properties of 2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide?
2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide has a molecular weight of 389.90 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 119930491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).